2-[4-[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)-2-methoxy-phenoxy]acetic acid Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC(=O)O)OC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC(=O)O)OC)CC

InChI

InChI=1S/C20H24N4O6/c1-4-6-9-24-18-16(19(27)22-20(24)28)23(5-2)17(21-18)12-7-8-13(14(10-12)29-3)30-11-15(25)26/h7-8,10H,4-6,9,11H2,1-3H3,(H,25,26)(H,22,27,28)